2-[3-acetamido-2-oxidanylidene-4-(phenylmethyl)sulfonylsulfanyl-azetidin-1-yl]-3-methyl-but-3-enoic acid

Systemtic Name: 2-[3-acetamido-2-oxidanylidene-4-(phenylmethyl)sulfonylsulfanyl-azetidin-1-yl]-3-methyl-but-3-enoic acid Openeye Name: 2-(3-acetamido-2-benzylsulfonylsulfanyl-4-oxo-azetidin-1-yl)-3-methyl-but-3-enoic acid CAS Name: 2-[3-acetamido-2-oxo-4-[(phenylmethyl)sulfonylthio]-1-azetidinyl]-3-methyl-3-butenoic acid IUPAC Name: 2-(3-acetamido-2-benzylsulfonylsulfanyl-4-oxoazetidin-1-yl)-3-methylbut-3-enoic acid Traditional Name: 2-[3-acetamido-2-(benzylsulfonylthio)-4-keto-azetidin-1-yl]-3-methyl-but-3-enoic acid Formula: C17H20N2O6S2 MolecularWeight: 412.4805

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)O)N1C(C(C1=O)NC(=O)C)SS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(=C)C(C(=O)O)N1C(C(C1=O)NC(=O)C)SS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H20N2O6S2/c1-10(2)14(17(22)23)19-15(21)13(18-11(3)20)16(19)26-27(24,25)9-12-7-5-4-6-8-12/h4-8,13-14,16H,1,9H2,2-3H3,(H,18,20)(H,22,23)